[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride

C17H27Cl2N5O — CID 119487602

About [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride

[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride (PubChem CID 119487602) has the molecular formula C17H27Cl2N5O and a molecular weight of 388.34 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
• PubChem CID: 119487602
• Molecular Formula: C17H27Cl2N5O
• Molecular Weight: 388.34 g/mol
• Exact Mass: 387.16
• IUPAC Name: [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
• SMILES: CNC1CCCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1.Cl.Cl
• InChI: InChI=1S/C17H25N5O.2ClH/c1-11(2)22-16-13(9-19-22)8-15(12(3)20-16)17(23)21-7-5-6-14(10-21)18-4;;/h8-9,11,14,18H,5-7,10H2,1-4H3;2*1H
• InChIKey: DXDHBIVNAZUCOV-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.34
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The IUPAC name of [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride (CID 119487602) is [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride.

What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride is CNC1CCCN(C(=O)c2cc3cnn(C(C)C)c3nc2C)C1.Cl.Cl.

What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

The InChIKey is DXDHBIVNAZUCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.2ClH/c1-11(2)22-16-13(9-19-22)8-15(12(3)20-16)17(23)21-7-5-6-14(10-21)18-4;;/h8-9,11,14,18H,5-7,10H2,1-4H3;2*1H.

What are the key properties of [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride?

[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119487602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).